2-[2-[[6-carbamimidoyl-1-(2-methylpropyl)indol-3-yl]methyl]phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[[6-carbamimidoyl-1-(2-methylpropyl)indol-3-yl]methyl]phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-isobutyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[[6-carbamimidoyl-1-(2-methylpropyl)-3-indolyl]methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[[6-carbamimidoyl-1-(2-methylpropyl)indol-3-yl]methyl]phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(6-amidino-1-isobutyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=C(C=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC(C)CN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=C(C=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C28H29N3O3/c1-17(2)15-31-16-20(23-10-8-19(27(29)30)13-26(23)31)12-18-6-4-5-7-22(18)24-11-9-21(34-3)14-25(24)28(32)33/h4-11,13-14,16-17H,12,15H2,1-3H3,(H3,29,30)(H,32,33)